1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

C19H19NO2 — CID 3117627

IUPAC1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H19NO2/c1-13-6-8-17(9-7-13)20-18(21)12-16(19(20)22)11-15-5-3-4-14(2)10-15/h3-10,16H,11-12H2,1-2H3
InChIKeyZBEGBRJCMIWQNU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds3

About 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 3117627) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID3117627
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H19NO2/c1-13-6-8-17(9-7-13)20-18(21)12-16(19(20)22)11-15-5-3-4-14(2)10-15/h3-10,16H,11-12H2,1-2H3
InChIKeyZBEGBRJCMIWQNU-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methylphenyl)succinimide
CID 75335
(2S,5R)-N-(4-(2-amino-2-oxoethyl)phenyl)-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
CID 67096018
ST4026792
CID 556822
2-(2-ethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2872879
Upcmld05admt002042
CID 316235
1H-Isoindole-1,3(2H)-dione, 2-(4-methylphenyl)-
CID 616999
3-Benzyl-3-ethyl-1-phenylazetidine-2,4-dione
CID 44626901
5-Cyclohexyl-1,3-Dihydroindol-2-One
CID 23363908
1-(2,5-Dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 2846955
3-[(3-Methylphenyl)methyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 2865474
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
1-(4-Methylphenyl)-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 3400758

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 3117627) is 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ZBEGBRJCMIWQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-6-8-17(9-7-13)20-18(21)12-16(19(20)22)11-15-5-3-4-14(2)10-15/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3117627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).